1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine

C14H21FN2 — CID 120834127

IUPAC1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2/c1-11(12-3-5-13(15)6-4-12)9-17-8-7-14(10-17)16-2/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyJFPOIELVHUYMJJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine

1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine (PubChem CID 120834127) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
PubChem CID120834127
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2/c1-11(12-3-5-13(15)6-4-12)9-17-8-7-14(10-17)16-2/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyJFPOIELVHUYMJJ-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838983
1-[1-[2-(4-fluorophenyl)propyl]piperidin-3-yl]ethanamine
CID 120841093
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 120842603
N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide
CID 99857032
1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
CID 115299896
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834027
1-[1-[2-(4-fluorophenyl)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842739
1-[3-(methylamino)pyrrolidin-1-yl]butan-2-ol
CID 115300562
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine (CID 120834127) is 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine is CNC1CCN(CC(C)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The InChIKey is JFPOIELVHUYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(12-3-5-13(15)6-4-12)9-17-8-7-14(10-17)16-2/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine?
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 120834127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).